N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide

C11H17N3O2 — CID 39004583

IUPACN-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C11H17N3O2/c1-9(2)4-6-12-10(15)8-14-7-3-5-13-11(14)16/h3,5,7,9H,4,6,8H2,1-2H3,(H,12,15)
InChIKeyCITADEDYWFQOGY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds5

About N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39004583) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39004583
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C11H17N3O2/c1-9(2)4-6-12-10(15)8-14-7-3-5-13-11(14)16/h3,5,7,9H,4,6,8H2,1-2H3,(H,12,15)
InChIKeyCITADEDYWFQOGY-UHFFFAOYSA-N
XLogP0.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-(2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]propanamide
CID 131703148
2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 60758847
N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 167286972
2-methyl-N-propan-2-yl-2-(2H-pyrimidin-1-yl)propanamide
CID 176011809
N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39005501
N-(2-methylbutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39007509
N-butyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 39889719
N-(3-methoxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39891646
N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39892134
N-tert-butyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 39946215
N-[(2R)-3-methylbutan-2-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 40179855
N-[(2S)-3-methylbutan-2-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 40179856

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 39004583) is N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide is CC(C)CCNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is CITADEDYWFQOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9(2)4-6-12-10(15)8-14-7-3-5-13-11(14)16/h3,5,7,9H,4,6,8H2,1-2H3,(H,12,15).
What are the key properties of N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39004583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).